SCHEMBL9303041

SCHEMBL9303041

N=C(N)Nc1cccc(C(=O)Nc2cccc(C(=N)N)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 8/20 0.61
PRSS1 P07477 5/20 0.61
F2 P00734 4/20 0.61
PLG P00747 4/20 0.61
KLKB1 P03952 4/20 0.61
PLAT P00750 3/20 0.61
KLK1 P06870 1/20 0.61
F10 P00742 1/20 0.55
PLK4 O00444 1/20 0.55
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
CHUK O15111 1/20 0.55
DAPK3 O43293 1/20 0.55
JAK2 O60674 1/20 0.55
ROCK2 O75116 1/20 0.55
PAK4 O96013 1/20 0.55
CHEK2 O96017 1/20 0.55
CDK1 P06493 1/20 0.55
PIM1 P11309 1/20 0.55
PRKACA P17612 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9303751 0.92 ITGB3 (0.62) PLAUPRSS1F2PLGKLKB1
SCHEMBL9304281 0.92 PLAU (0.61) PLAUPRSS1F2PLGKLKB1
SCHEMBL9305779 0.90 PLAU (0.71) PLAUPRSS1F2PLGKLKB1
SCHEMBL9303237 0.89 PLAU (0.65) PLAUPRSS1F2PLGKLKB1
SCHEMBL24313036 0.84 PARP1 (0.61) PLAUPRSS1F2PLGKLKB1
SCHEMBL9303249 0.84 PLAU (0.60) PLAUPRSS1F2PLGKLKB1
SCHEMBL9305495 0.83 PLAU (0.54) PLAUPRSS1F2PLGKLKB1
Amicarbalide SCHEMBL1818799 0.83 PLAU (0.65) PLAUPRSS1F2PLGKLKB1
SCHEMBL895690 0.83 MEN1 (0.63) MEN1KMT2A
SCHEMBL9304048 0.83 SIRT2 (0.55) PLAUPRSS1F2PLGKLKB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352704-A Antiviral agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-10-04 US disclosed
EP-0434432-B1 Guanidinobenzene derivatives BANYU PHARMA CO LTD (JP) 1994-05-04 EP disclosed
EP-0434432-A1 Guanidinobenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed